==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-11 4ABF . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.7 8.0 -20.6 14.6 2 17 A V B +A 171 0A 10 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.866 360.0 6.9-101.1 131.6 10.3 -19.8 17.5 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.715 102.3 120.3 76.2 21.4 12.0 -22.7 19.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.000 56.1-112.7 -97.9-158.8 10.8 -25.4 16.9 5 20 A Y E -B 137 0B 95 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.934 34.8 -87.9-139.6 155.8 12.5 -27.9 14.6 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.580 37.4-152.0 -64.3 117.6 13.0 -28.5 10.9 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.877 35.4-112.6 -61.5 -41.5 9.9 -30.6 9.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.0 4,-0.3 0.047 47.1 -57.1 106.7 142.9 11.5 -32.4 7.0 9 24 A A T 3 S- 0 0 45 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.200 117.2 -11.2 -64.7 128.1 10.5 -31.9 3.4 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.671 91.7 125.3 62.5 23.2 6.8 -32.6 2.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.514 74.2 50.5 -86.7 -4.9 6.1 -34.2 6.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.738 74.5 174.7-125.0 75.2 3.3 -31.7 6.7 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.627 71.7 55.6 -77.0 -10.2 1.5 -32.3 3.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.457 82.2 107.6 -90.5 -9.1 -1.5 -30.1 4.1 15 30 A Q E < -I 28 0C 5 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.617 48.7-178.0 -72.3 121.2 0.7 -27.0 4.8 16 31 A V E -I 27 0C 1 11,-2.4 11,-1.3 -2,-0.4 2,-0.4 -0.888 21.7-135.9-113.4 160.9 0.4 -24.4 2.0 17 32 A S E -IJ 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.5 -0.939 15.1-140.3-108.1 131.3 2.2 -21.1 1.5 18 33 A L E -IJ 25 48C 0 7,-3.0 6,-2.6 -2,-0.4 7,-1.0 -0.841 25.9-168.3 -92.8 124.8 0.1 -18.1 0.3 19 34 A N E +IJ 23 47C 18 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.957 30.8 166.8-123.7 131.9 2.2 -16.1 -2.1 20 37 A S S S- 0 0 32 2,-2.3 26,-0.1 -2,-0.4 3,-0.1 -0.347 98.3 -43.8-130.6 45.5 1.6 -12.6 -3.6 21 38 A G S S+ 0 0 66 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.224 141.0 23.3 106.5 -13.4 5.1 -12.2 -5.0 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.3 0, 0.0 2,-0.2 -0.925 102.9 -77.8-169.8 159.1 6.5 -13.6 -1.7 23 40 A H E +I 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.508 51.5 158.4 -65.9 135.7 5.3 -15.8 1.1 24 41 A F E + 0 0 29 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.479 58.8 5.2-134.9 -12.3 3.0 -13.8 3.5 25 42 A b E -I 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.979 61.8-121.1-162.0 159.2 0.9 -16.4 5.3 26 43 A G E +I 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.418 27.4 177.6 -90.8 178.5 0.3 -20.1 5.8 27 44 A G E -I 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.959 25.0-115.9-167.9 176.7 -2.9 -22.1 5.2 28 45 A S E -IK 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.8-131.8-131.0 124.2 -4.3 -25.7 5.3 29 46 A L E + K 0 35C 1 -15,-2.4 74,-2.6 -2,-0.4 6,-0.2 -0.649 27.6 173.0 -75.9 123.9 -5.5 -27.8 2.4 30 47 A I E - 0 0 19 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.601 66.5 -9.3-111.6 -14.1 -8.9 -29.3 3.4 31 48 A N E > S- K 0 34C 51 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.933 89.0 -78.8-161.5-177.5 -9.9 -30.8 -0.0 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.722 128.5 31.9 -62.9 -17.1 -8.6 -30.7 -3.6 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.4 1,-0.1 2,-0.4 0.556 110.4 66.6-113.6 -13.9 -10.2 -27.3 -4.2 34 51 A W E < -KL 31 89C 1 -3,-0.7 -4,-2.7 55,-0.2 -3,-1.3 -0.948 48.3-166.6-133.8 139.8 -10.1 -25.4 -0.8 35 52 A V E -KL 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.955 15.0-144.2-118.6 138.3 -7.7 -23.9 1.7 36 53 A V E +KL 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.870 36.9 148.8 -90.6 127.1 -8.5 -22.8 5.4 37 54 A S E - L 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.804 49.8 -74.8-142.1-168.7 -6.5 -19.7 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.730 30.7-132.5 -89.2 141.4 -6.8 -16.7 8.8 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.831 107.3 66.0 -58.2 -30.8 -9.1 -13.8 7.7 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.652 93.9 62.6 -72.2 -6.2 -6.3 -11.3 8.7 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.428 77.7 129.4 -86.8 -1.4 -4.4 -12.9 5.8 42 59 A Y < + 0 0 133 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.272 21.0 132.2 -58.4 137.1 -7.0 -11.8 3.2 43 60 A K - 0 0 60 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.945 52.2-100.4-165.0 167.5 -5.8 -9.9 0.1 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.537 95.2 41.2 -82.2 160.3 -6.4 -10.2 -3.7 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.842 73.7 170.5 76.2 33.8 -4.0 -11.9 -6.1 46 63 A I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.674 20.4-163.6 -81.8 135.8 -3.2 -14.9 -4.0 47 64 A Q E -JM 19 66C 49 -28,-2.7 -28,-2.8 -2,-0.5 2,-0.5 -0.967 16.5-141.6-108.0 124.4 -1.2 -17.8 -5.5 48 65 A V E -JM 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.7 -0.765 11.3-157.0 -85.7 127.1 -1.5 -21.0 -3.3 49 66 A R E -JM 17 64C 51 -32,-2.9 -32,-2.4 -2,-0.5 3,-0.3 -0.942 13.7-177.5-113.6 106.0 1.8 -23.0 -3.2 50 67 A L E + M 0 63C 2 13,-3.1 13,-2.1 -2,-0.7 -34,-0.1 -0.722 61.8 31.1 -89.9 158.9 1.3 -26.6 -2.3 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.740 84.0 156.3 69.6 21.3 4.1 -29.3 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.574 21.0 149.4 -83.2 141.5 6.6 -26.7 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.380 81.2 29.6-121.2 -78.9 9.6 -27.3 1.7 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.650 74.3-160.0 -77.7 111.5 12.2 -24.6 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.585 86.6 51.5 -74.9 -4.7 10.0 -21.7 -0.3 56 74 A N T 3 S+ 0 0 126 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.442 105.5 58.9-104.8 -4.5 12.9 -20.0 -2.3 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 76,-0.1 -4,-0.3 -0.994 78.6-128.2-128.8 135.3 14.0 -23.1 -4.3 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.698 34.4 171.3 -79.8 114.2 12.0 -25.2 -6.8 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.601 51.1 -98.1-109.6 -12.8 12.6 -28.7 -5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.313 103.8 73.8 120.1 -7.8 10.2 -30.8 -7.5 61 79 A N + 0 0 66 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.348 66.5 119.2-117.0 8.7 7.0 -31.4 -5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.342 40.7-166.8 -75.0 151.9 5.4 -28.0 -5.7 63 81 A Q E -M 50 0C 37 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.5 -0.991 7.9-162.1-128.9 127.8 2.0 -27.2 -7.2 64 82 A F E +M 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.964 17.2 168.7-110.2 117.3 1.3 -23.5 -7.8 65 83 A I E -M 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.5 2,-0.1 -0.990 29.0-128.6-135.9 127.5 -2.4 -22.7 -8.3 66 84 A S E -M 47 0C 49 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.396 29.3-109.1 -70.9 144.8 -4.0 -19.2 -8.2 67 85 A A E -N 90 0C 20 -21,-2.8 23,-0.3 23,-0.2 -22,-0.1 -0.578 23.3-169.4 -68.5 138.2 -7.1 -18.5 -6.0 68 86 A S E S+ 0 0 66 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.700 73.1 7.2 -90.7 -30.0 -10.4 -18.0 -7.8 69 87 A K E -N 89 0C 91 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.971 56.2-156.6-154.6 136.8 -12.3 -16.7 -4.7 70 88 A S E -N 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.931 9.9-166.5-112.3 138.6 -11.6 -15.7 -1.1 71 89 A I E -N 87 0C 35 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.916 5.7-159.6-127.0 107.5 -14.5 -15.9 1.5 72 90 A V E -N 86 0C 52 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.658 40.2 -88.8 -76.3 143.1 -13.8 -14.1 4.8 73 91 A H > - 0 0 22 12,-2.3 3,-2.0 -2,-0.3 -1,-0.1 -0.213 34.8-120.9 -53.1 146.9 -16.0 -15.2 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.712 110.7 37.9 -62.7 -23.2 -19.3 -13.2 7.9 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.220 78.9 142.5-117.3 15.2 -18.5 -12.0 11.4 76 94 A Y < - 0 0 53 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.384 31.3-164.4 -59.5 131.9 -14.8 -11.4 11.2 77 95 A N > - 0 0 67 5,-2.2 4,-2.0 -2,-0.1 5,-0.4 -0.968 8.2-161.3-119.7 114.7 -13.8 -8.3 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.674 87.8 56.1 -74.6 -15.7 -10.3 -7.1 12.3 79 97 A N T 4 S+ 0 0 154 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.902 123.4 21.8 -77.4 -47.2 -10.0 -5.1 15.6 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.562 97.1-131.8 -93.8 -16.1 -10.6 -8.0 18.0 81 99 A L >< + 0 0 33 -4,-2.0 3,-0.8 1,-0.2 2,-0.2 0.608 48.5 160.3 61.9 18.9 -9.7 -10.8 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.2 -0.490 66.7 15.9 -65.4 135.4 -12.9 -12.6 16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.2 0.903 79.5 179.8 66.0 48.0 -13.8 -15.1 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.454 36.9 110.9 -83.5 75.8 -10.3 -15.0 12.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 36.2 172.8-148.3 140.6 -11.0 -17.5 9.5 86 104 A M E -LN 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.968 21.5-135.9-141.8 163.3 -11.3 -17.5 5.7 87 105 A L E -LN 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.5 -0.922 12.7-161.7-116.1 142.8 -11.6 -19.9 2.9 88 106 A I E -LN 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.4 -0.991 7.5-150.4-126.7 125.7 -9.8 -19.8 -0.4 89 107 A K E -LN 34 69C 39 -20,-2.9 -21,-2.8 -2,-0.5 -20,-1.1 -0.785 16.6-131.2 -97.7 134.4 -10.9 -21.7 -3.5 90 108 A L E - 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